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3 similar compounds to monomer 50198044

Compile data set for download or QSAR
Wt: 226.0
BDBM22814
Purchase
Wt: 351.4
BDBM50198046
Wt: 294.2
BDBM50198050

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 22814,50198046,50198050   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carboxylesterase 1


(Oryctolagus cuniculus (rabbit))
BDBM22814
PNG
(5-bromo-2,3-dihydro-1H-indole-2,3-dione | Isatin-b...)
Show SMILES Brc1ccc2NC(=O)C(=O)c2c1
Show InChI InChI=1S/C8H4BrNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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Article
PubMed
1.32E+3n/an/an/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
BindingDB Entry DOI: 10.7270/Q2TX3CNK
More data for this
Ligand-Target Pair
Factor XIIa


(Homo sapiens (Human))
BDBM22814
PNG
(5-bromo-2,3-dihydro-1H-indole-2,3-dione | Isatin-b...)
Show SMILES Brc1ccc2NC(=O)C(=O)c2c1
Show InChI InChI=1S/C8H4BrNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
1.33E+4n/an/an/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
BindingDB Entry DOI: 10.7270/Q2TX3CNK
More data for this
Ligand-Target Pair
Acyl-CoA: cholesterol acyltransferase (ACAT)


(Homo sapiens (Human))
BDBM22814
PNG
(5-bromo-2,3-dihydro-1H-indole-2,3-dione | Isatin-b...)
Show SMILES Brc1ccc2NC(=O)C(=O)c2c1
Show InChI InChI=1S/C8H4BrNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

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Article
PubMed
3.17E+4n/an/an/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
CE inhibition was determined using a spectrophotometric multiwell plate assay with o-NPA as a substrate. The rate of change in absorbance at 420 nm w...


J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
BindingDB Entry DOI: 10.7270/Q2TX3CNK
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM22814
PNG
(5-bromo-2,3-dihydro-1H-indole-2,3-dione | Isatin-b...)
Show SMILES Brc1ccc2NC(=O)C(=O)c2c1
Show InChI InChI=1S/C8H4BrNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
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UniChem

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Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...


J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
BindingDB Entry DOI: 10.7270/Q2TX3CNK
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM22814
PNG
(5-bromo-2,3-dihydro-1H-indole-2,3-dione | Isatin-b...)
Show SMILES Brc1ccc2NC(=O)C(=O)c2c1
Show InChI InChI=1S/C8H4BrNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)
PDB
MMDB

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Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



St. Jude Research Hospital



Assay Description
The cholinesterase assays were performed using colorimetric method reported by Ellman. Estimates of the competitive inhibition constants (Ki) were ob...


J Med Chem 50: 1876-85 (2007)


Article DOI: 10.1021/jm061471k
BindingDB Entry DOI: 10.7270/Q2TX3CNK
More data for this
Ligand-Target Pair
Protein-glutamine gamma-glutamyltransferase 2 (TG2)


(Homo sapiens (Human))
BDBM22814
PNG
(5-bromo-2,3-dihydro-1H-indole-2,3-dione | Isatin-b...)
Show SMILES Brc1ccc2NC(=O)C(=O)c2c1
Show InChI InChI=1S/C8H4BrNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
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Purchase

PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 6.50E+4n/an/an/an/an/an/a



Stanford University

Curated by ChEMBL


Assay Description
Inhibition of human transglutaminase 2 using Cbz-Gln-Gly as a substrate by GDH-coupled assay


Bioorg Med Chem Lett 21: 2692-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.037
BindingDB Entry DOI: 10.7270/Q2CN7471
More data for this
Ligand-Target Pair
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (Human))
BDBM50198046
PNG
(CHEMBL3911508)
Show SMILES CN1\C(S\C(=C/c2ccncc2)C1=O)=N\c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C20H21N3OS/c1-20(2,3)15-5-7-16(8-6-15)22-19-23(4)18(24)17(25-19)13-14-9-11-21-12-10-14/h5-13H,1-4H3/b17-13-,22-19-
PDB
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Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5
More data for this
Ligand-Target Pair
Aurora kinase A/Targeting protein for Xklp2


(Homo sapiens (Human))
BDBM50198050
PNG
(CHEMBL3921919)
Show SMILES OC(=O)c1ccc2[nH]c(=O)n(-c3nc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C15H10N4O3/c20-13(21)8-5-6-11-12(7-8)19(15(22)18-11)14-16-9-3-1-2-4-10(9)17-14/h1-7H,(H,16,17)(H,18,22)(H,20,21)
PDB
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UniChem

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Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



University of Berne

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human Aurora A kinase (122 to 40 residues) expressed in Escherichia coli BL21 (DE3) Rosetta cells using biotinylated STK2 su...


J Med Chem 59: 7188-211 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00709
BindingDB Entry DOI: 10.7270/Q2JM2CM5
More data for this
Ligand-Target Pair